SCHEMBL12754153

SCHEMBL12754153

CO[C@@H]1C(CO)OC(C)C(NC(C)=O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ LGALS3 P17931 6/20 0.43
▸ LGALS8 O00214 2/20 0.43
▸ LGALS4 P56470 1/20 0.43
▸ LGALS1 P09382 1/20 0.42
▸ LGALS7; LGALS7B P47929 1/20 0.42
▸ LGALS9 O00182 1/20 0.41
▸ CD69 Q07108 1/20 0.40
▸ PYGB P11216 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23380129 1.00 MAPK1 (0.46) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL21122214 1.00 MAPK1 (0.46) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL26651047 1.00 MAPK1 (0.46) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL26651092 1.00 MAPK1 (0.46) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL12872379 1.00 MAPK1 (0.46) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL16311989 0.91 LGALS3 (0.53) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL21180426 0.91 LGALS3 (0.53) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL14865928 0.91 LGALS3 (0.53) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL15583488 0.91 LGALS3 (0.53) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL16213792 0.91 LGALS3 (0.53) MAPK1ALDH1A1THRBLGALS3LGALS8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7914889-B2 extruding fiber, treating with chitosan; coating on or absorption into base alginate fibers; medical dressings, gauzes and bandages MEDLOCK MEDICAL LIMITED (GB) 2011-03-29 — — US disclosed
US-20080097001-A1 Wound Management Fibres MEDLOCK MEDICAL LIMITED (GB) 2008-04-24 — — US disclosed
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